Program PWSCF v.6.5 starts on 30May2020 at 6:15:23 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); "P. Giannozzi et al., J. Phys.:Condens. Matter 29 465901 (2017); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Serial multi-threaded version, running on 1 processor cores Fft bands division: nmany = 1 Waiting for input... Reading input from standard input Warning: card ignored Warning: card ignored Warning: card ignored Warning: card ATOMIC_SPECIES ignored Warning: card CR 51.99610 CR_PBE_V1.5.USPP.F.UPF ignored Warning: card O 15.99940 O.PBE-N-KJPAW_PSL.0.1.UPF ignored Warning: card C 12.01070 C.PBE-N-KJPAW_PSL.1.0.0.UPF ignored Warning: card ignored Warning: card ATOMIC_POSITIONS ignored Warning: card CR 0.015192 0.164536 0.733005 ignored Warning: card O 0.093275 0.028881 0.742726 ignored Warning: card O -0.030843 0.084964 0.745460 ignored Warning: card O 0.106457 0.164467 0.749252 ignored Warning: card CR 0.141540 0.096064 0.665992 ignored Warning: card CR 0.012872 0.016742 0.665919 ignored Warning: card O 0.185468 0.028399 0.585837 ignored Warning: card O 0.060318 0.085300 0.590354 ignored Warning: card O -0.076940 0.163853 0.583622 ignored Warning: card CR 0.013965 0.165068 0.601970 ignored Warning: card C 0.114756 0.207990 0.398242 ignored Warning: card C -0.010241 0.207577 0.398647 ignored Warning: card C 0.051672 0.027967 0.397220 ignored Warning: card C 0.176767 0.028461 0.396457 ignored Warning: card C 0.176997 0.100328 0.397241 ignored Warning: card C 0.052068 0.099969 0.397995 ignored Warning: card C -0.010381 0.135711 0.398219 ignored Warning: card C 0.114596 0.136075 0.397763 ignored Warning: card CR -0.109149 0.379846 0.734625 ignored Warning: card O -0.031069 0.244198 0.744357 ignored Warning: card O -0.155189 0.300276 0.747073 ignored Warning: card O -0.017882 0.379784 0.750862 ignored Warning: card CR 0.017205 0.311373 0.667613 ignored Warning: card CR -0.111466 0.232045 0.667545 ignored Warning: card O 0.061130 0.243714 0.587457 ignored Warning: card O -0.064019 0.300608 0.591984 ignored Warning: card O -0.201282 0.379169 0.585241 ignored Warning: card CR -0.110378 0.380375 0.603585 ignored Warning: card C -0.009456 0.423323 0.399323 ignored Warning: card C -0.134449 0.422943 0.400065 ignored Warning: card C -0.072544 0.243269 0.399177 ignored Warning: card C 0.052548 0.243774 0.398241 ignored Warning: card C 0.052683 0.315609 0.398685 ignored Warning: card C -0.072235 0.315259 0.399746 ignored Warning: card C -0.134783 0.350975 0.399730 ignored Warning: card C -0.009815 0.351399 0.399046 ignored Warning: card CR 0.265195 0.165347 0.732458 ignored Warning: card O 0.343272 0.029699 0.742190 ignored Warning: card O 0.219153 0.085779 0.744909 ignored Warning: card O 0.356460 0.165284 0.748710 ignored Warning: card CR 0.391525 0.096882 0.665446 ignored Warning: card CR 0.262882 0.017554 0.665376 ignored Warning: card O 0.435469 0.029213 0.585305 ignored Warning: card O 0.310317 0.086112 0.589796 ignored Warning: card O 0.173058 0.164668 0.583086 ignored Warning: card CR 0.263966 0.165878 0.601422 ignored Warning: card C 0.364778 0.208839 0.397602 ignored Warning: card C 0.239780 0.208414 0.398187 ignored Warning: card C 0.301679 0.028772 0.396463 ignored Warning: card C 0.426727 0.029257 0.396028 ignored Warning: card C 0.427010 0.101155 0.396653 ignored Warning: card C 0.302061 0.100807 0.397328 ignored Warning: card C 0.239627 0.136492 0.397687 ignored Warning: card C 0.364575 0.136876 0.397115 ignored Warning: card CR 0.140845 0.380663 0.734083 ignored Warning: card O 0.218932 0.245008 0.743809 ignored Warning: card O 0.094811 0.301090 0.746535 ignored Warning: card O 0.232114 0.380590 0.750310 ignored Warning: card CR 0.267215 0.312179 0.667066 ignored Warning: card CR 0.138528 0.232858 0.667006 ignored Warning: card O 0.311126 0.244525 0.586899 ignored Warning: card O 0.185978 0.301423 0.591455 ignored Warning: card O 0.048713 0.379982 0.584692 ignored Warning: card CR 0.139616 0.381191 0.603046 ignored Warning: card C 0.240575 0.424122 0.399017 ignored Warning: card C 0.115563 0.423748 0.399500 ignored Warning: card C 0.177471 0.244105 0.398773 ignored Warning: card C 0.302534 0.244546 0.397660 ignored Warning: card C 0.302711 0.316471 0.398141 ignored Warning: card C 0.177763 0.316083 0.399392 ignored Warning: card C 0.115255 0.351819 0.399290 ignored Warning: card C 0.240167 0.352206 0.398682 ignored Warning: card CR 0.515189 0.166158 0.731917 ignored Warning: card O 0.593269 0.030512 0.741669 ignored Warning: card O 0.469148 0.086586 0.744354 ignored Warning: card O 0.606455 0.166094 0.748157 ignored Warning: card CR 0.641541 0.097672 0.664907 ignored Warning: card CR 0.512894 0.018357 0.664834 ignored Warning: card O 0.685469 0.030027 0.584729 ignored Warning: card O 0.560319 0.086924 0.589263 ignored Warning: card O 0.423058 0.165483 0.582539 ignored Warning: card CR 0.513963 0.166690 0.600881 ignored Warning: card C 0.614754 0.209617 0.397170 ignored Warning: card C 0.489757 0.209205 0.397569 ignored Warning: card C 0.551667 0.029593 0.396121 ignored Warning: card C 0.676762 0.030088 0.395360 ignored Warning: card C 0.676995 0.101956 0.396148 ignored Warning: card C 0.552065 0.101597 0.396899 ignored Warning: card C 0.489614 0.137338 0.397127 ignored Warning: card C 0.614591 0.137703 0.396677 ignored Warning: card CR 0.390846 0.381482 0.733538 ignored Warning: card O 0.468929 0.245821 0.743255 ignored Warning: card O 0.344813 0.301908 0.745995 ignored Warning: card O 0.482112 0.381410 0.749779 ignored Warning: card CR 0.517202 0.313008 0.666527 ignored Warning: card CR 0.388514 0.233677 0.666457 ignored Warning: card O 0.561124 0.245339 0.586378 ignored Warning: card O 0.435973 0.302239 0.590907 ignored Warning: card O 0.298713 0.380792 0.584146 ignored Warning: card CR 0.389616 0.382011 0.602500 ignored Warning: card C 0.490541 0.424951 0.398224 ignored Warning: card C 0.365548 0.424572 0.398972 ignored Warning: card C 0.427451 0.244896 0.398102 ignored Warning: card C 0.552543 0.245401 0.397171 ignored Warning: card C 0.552681 0.317236 0.397606 ignored Warning: card C 0.427762 0.316887 0.398672 ignored Warning: card C 0.365213 0.352602 0.398643 ignored Warning: card C 0.490180 0.353026 0.397964 ignored Warning: card CR 0.765191 0.166974 0.731377 ignored Warning: card O 0.843268 0.031326 0.741095 ignored Warning: card O 0.719150 0.087405 0.743831 ignored Warning: card O 0.856458 0.166908 0.747617 ignored Warning: card CR 0.891545 0.098500 0.664360 ignored Warning: card CR 0.762863 0.019181 0.664288 ignored Warning: card O 0.935463 0.030838 0.584199 ignored Warning: card O 0.810317 0.087737 0.588725 ignored Warning: card O 0.673056 0.166294 0.582006 ignored Warning: card CR 0.763963 0.167505 0.600340 ignored Warning: card C 0.864773 0.210466 0.396515 ignored Warning: card C 0.739778 0.210041 0.397115 ignored Warning: card C 0.801675 0.030397 0.395351 ignored Warning: card C 0.926723 0.030884 0.394933 ignored Warning: card C 0.927005 0.102782 0.395564 ignored Warning: card C 0.802057 0.102435 0.396223 ignored Warning: card C 0.739622 0.138119 0.396596 ignored Warning: card C 0.864571 0.138503 0.396021 ignored Warning: card CR 0.640841 0.382290 0.732994 ignored Warning: card O 0.718928 0.246635 0.742730 ignored Warning: card O 0.594807 0.302718 0.745451 ignored Warning: card O 0.732108 0.382223 0.749230 ignored Warning: card CR 0.767194 0.313812 0.665982 ignored Warning: card CR 0.638531 0.234489 0.665920 ignored Warning: card O 0.811123 0.246154 0.585826 ignored Warning: card O 0.685972 0.303051 0.590354 ignored Warning: card O 0.548709 0.381609 0.583604 ignored Warning: card CR 0.639612 0.382818 0.601955 ignored Warning: card C 0.740571 0.425749 0.397938 ignored Warning: card C 0.615559 0.425376 0.398392 ignored Warning: card C 0.677465 0.245733 0.397709 ignored Warning: card C 0.802530 0.246174 0.396584 ignored Warning: card C 0.802707 0.318097 0.397068 ignored Warning: card C 0.677760 0.317710 0.398321 ignored Warning: card C 0.615250 0.353446 0.398201 ignored Warning: card C 0.740163 0.353833 0.397610 ignored Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine init_pos (1): atomic species info missing %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ...